title: Study of structural and electronic origin of ambergris odor of some compounds.
abstract: The correlation between structural, stereochemical as well as electronic features and ambergris odor of some tricyclic ethers is established based on quantum chemical calculation method. A definite structural fragment (a "new ambergris triangle") with certain electronic properties determining the origin of the odor is revealed. The influence of HOMO-LUMO energy gaps and total energies of some ambergris compounds on their odor intensity is investigated.
authors.affiliation: School of Chemical Engineering, Shanghai Institute of Technology, 120 Caobao Road, Shanghai, People's Republic of China. chengliping@sit.edu.cn
authors.forename: Li Ping
authors.initials: LP
authors.lastname: Cheng
authors.forename: Li
authors.initials: L
authors.lastname: Xu
authors.forename: Hai Fang
authors.initials: HF
authors.lastname: Mao
authors.forename: Gen Li
authors.initials: GL
authors.lastname: Wang
mesh_terms: D018648:Ambergris / Q000737:chemistry*; D015394:Molecular Structure; D009812:Odorants; D011083:Polycyclic Compounds / Q000737:chemistry*; D013329:Structure-Activity Relationship
chemical_list: D018648:Ambergris; D011083:Polycyclic Compounds